SCHEMBL4879186

SCHEMBL4879186

CC(C)(C)OC(=O)N1Cc2nn(-c3ccc(Cl)cc3)c(NC(=O)Cc3ccc(F)cc3)c2C1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.51
TSHR P16473 6/20 0.50
NTRK1 P04629 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 5/20 0.44
USP2 O75604 1/20 0.44
CACNA1H O95180 2/20 0.41
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4878903 0.84 ENPP2 (0.58) ENPP2TSHRMEN1KMT2AALDH1A1
SCHEMBL4882017 0.79 ENPP2 (0.60) ENPP2TSHRNTRK1MEN1KMT2A
SCHEMBL4874779 0.77 ENPP2 (0.81) ENPP2TSHRMEN1KMT2ATP53
SCHEMBL14024422 0.77 ENPP2 (0.58) ENPP2TSHRMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL4880131 0.76 ENPP2 (0.57) ENPP2TSHRMEN1KMT2AALDH1A1
SCHEMBL4879168 0.75 MEN1 (0.45) NTRK1MEN1KMT2AALDH1A1USP2
SCHEMBL4883506 0.69 ENPP2 (0.81) ENPP2TSHRMEN1KMT2AALDH1A1
SCHEMBL4880715 0.69 TSHR (0.56) ENPP2TSHRALDH1A1CACNA1HSMN1; SMN2
SCHEMBL4880680 0.68 TSHR (0.57) ENPP2TSHRNTRK1ALDH1A1CACNA1H
SCHEMBL12879089 0.67 MEN1 (0.44) ENPP2MEN1KMT2AALDH1A1CACNA1H

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080249154-A1 Preventive and/or Therapeutic Agent For Disease In Which Mitochondrial Benzodiazephine Receptor Participates ONO PHARMACEUTICAL CO., LTD. (JP) 2008-10-09 US claimed
EP-1698335-A1 PREVENTIVE AND/OR THERAPEUTIC AGENT FOR DISEASE IN WHICH MITOCHONDRIAL BENZODIAZEPINE RECEPTOR PARTICIPATES ONO PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 EP claimed
US-20080249154-A1 Preventive and/or Therapeutic Agent For Disease In Which Mitochondrial Benzodiazephine Receptor Participates ONO PHARMACEUTICAL CO., LTD. (JP) 2008-10-09 US disclosed
EP-1698335-A1 PREVENTIVE AND/OR THERAPEUTIC AGENT FOR DISEASE IN WHICH MITOCHONDRIAL BENZODIAZEPINE RECEPTOR PARTICIPATES ONO PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080249154-A1 Preventive and/or Therapeutic Agent For Disease In Which Mitochondrial Benzodiazephine Receptor Participates MTNR1A, GSR, NLN ENPP2 2226/4885TSHR 214/4885NTRK1 492/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.